SCHEMBL929464

SCHEMBL929464

CC(C)(S)C(=O)NC(CS)C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.42
MME P08473 1/20 0.42
ACE2 Q9BYF1 1/20 0.42
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.38
NFKB1 P19838 1/20 0.38
PTGS2 P35354 1/20 0.38
THPO P40225 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
FOLH1 Q04609 1/20 0.33
FCER2 P06734 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL929463 1.00 ACE (0.42) ACEMMEACE2KDM4EMAPT
Bucillamine SCHEMBL4632094 0.93 MAPT (0.50) ACEMMEACE2KDM4EMAPT
SCHEMBL24378316 0.86 KDM4E (0.44) ACEMMEACE2KDM4EMAPT
SCHEMBL930359 0.83 KDM4E (0.37) ACEKDM4EMAPTTHRBALOX15
Bucillamine SCHEMBL522713 0.82 MAPT (0.59) ACEMMEACE2KDM4EMAPT
Bucillamine SCHEMBL930021 0.82 MAPT (0.59) ACEMMEACE2KDM4EMAPT
Bucillamine SCHEMBL121965 0.82 MAPT (0.59) ACEMMEACE2KDM4EMAPT
Bucillamine SCHEMBL5060887 0.82 MAPT (0.59) ACEMMEACE2KDM4EMAPT
SCHEMBL21153257 0.81 KDM4E (0.40) ACEKDM4EMAPTTHRBALOX15
SCHEMBL21691946 0.79 ACE (0.41) ACEMMEACE2KDM4EMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7875268-B2 The use of certain dimercaptoamides as reducing agents, 2-mercapto-N-(2-mercaptoethyl)acetamide, results in curling that is satisfactoryin terms of intensity and in terms of hold over time; less substantial degradation of the hair fiber compared with the reducing agents of the prior art; permanent waves L'OREAL S.A. (FR) 2011-01-25 US claimed
US-20060013784-A1 Novel dimercaptoamides, compositions comprising them as reducing agents, and processes for permanently reshaping keratin fibers therewith L'OREAL S.A. (FR) 2006-01-19 US claimed
US-7875268-B2 The use of certain dimercaptoamides as reducing agents, 2-mercapto-N-(2-mercaptoethyl)acetamide, results in curling that is satisfactoryin terms of intensity and in terms of hold over time; less substantial degradation of the hair fiber compared with the reducing agents of the prior art; permanent waves L'OREAL S.A. (FR) 2011-01-25 US disclosed
EP-1584615-B1 Use of dimercaptoamides for permanently deforming of keratinic fibres OREAL (FR) 2008-05-28 EP disclosed
US-20060013784-A1 Novel dimercaptoamides, compositions comprising them as reducing agents, and processes for permanently reshaping keratin fibers therewith L'OREAL S.A. (FR) 2006-01-19 US disclosed
EP-1584615-A1 Use of dimercaptoamides for permanently deforming of keratinic fibres L'OREAL (FR) 2005-10-12 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060013784-A1 Novel dimercaptoamides, compositions comprising them as reducing agents, and processes for permanently reshaping keratin fibers therewith KRT18, CKAP4, S100A4 ACE 3872/4885MME 2540/4885ACE2 3691/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.